CID 88985351

C5H8BFO5P+ — CID 88985351

IUPAC—
SMILES[B][C@@H]1O[C@H](CO)C(O[P+](=O)O)C1F
InChIInChI=1S/C5H7BFO5P/c6-5-3(7)4(12-13(9)10)2(1-8)11-5/h2-5,8H,1H2/p+1/t2-,3?,4?,5-/m1/s1
InChIKeyWJINCHAVPDOINN-OGJMQGSBSA-O
MW208.90 g/mol
LogP-0.75
Rot. Bonds3

About CID 88985351

CID 88985351 (PubChem CID 88985351) has the molecular formula C5H8BFO5P+ and a molecular weight of 208.90 g/mol.

Molecular Properties

Compound NameCID 88985351
PubChem CID88985351
Molecular FormulaC5H8BFO5P+
Molecular Weight208.90 g/mol
Exact Mass209.02
IUPAC Name—
SMILES[B][C@@H]1O[C@H](CO)C(O[P+](=O)O)C1F
InChIInChI=1S/C5H7BFO5P/c6-5-3(7)4(12-13(9)10)2(1-8)11-5/h2-5,8H,1H2/p+1/t2-,3?,4?,5-/m1/s1
InChIKeyWJINCHAVPDOINN-OGJMQGSBSA-O
XLogP-0.75
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.90
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze CID 88985351 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 88985351?
The IUPAC name of CID 88985351 (CID 88985351) is not available.
What is the SMILES notation for CID 88985351?
The canonical SMILES for CID 88985351 is [B][C@@H]1O[C@H](CO)C(O[P+](=O)O)C1F.
What is the InChIKey of CID 88985351?
The InChIKey is WJINCHAVPDOINN-OGJMQGSBSA-O. The full InChI is InChI=1S/C5H7BFO5P/c6-5-3(7)4(12-13(9)10)2(1-8)11-5/h2-5,8H,1H2/p+1/t2-,3?,4?,5-/m1/s1.
What are the key properties of CID 88985351?
CID 88985351 has a molecular weight of 208.90 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88985351 is sourced from PubChem (CID 88985351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).